1,3-benzothiazol-2-ylmethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl(vanillyl)ammonium Formula: C16H17N2O2S+ MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C16H16N2O2S/c1-20-14-8-11(6-7-13(14)19)9-17-10-16-18-12-4-2-3-5-15(12)21-16/h2-8,17,19H,9-10H2,1H3/p+1